Determination of the Preferred Conformation of the Bicyclic Galerucella Pheromone Using Density Functional Theory Optimization and Calculations of Chemical Shifts-Reference-Cited by-同舟云学术

Determination of the Preferred Conformation of the Bicyclic Galerucella Pheromone Using Density Functional Theory Optimization and Calculations of Chemical Shifts

Published:2006-05-20 Issue:13 Volume:71 Page:4748-4758
ISSN:0022-3263
Container-title:The Journal of Organic Chemistry
language:en
Short-container-title:J. Org. Chem.

Author:

Bosma Wayne B.¹,Bartelt Robert J.¹,Momany Frank A.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Bradley University, Peoria, Illinois 61625, Crop Bioprotection Research Unit, USDA, ARS, MWA, National Center for Agricultural Utilization Research, 1815 North University Street, Peoria, Illinois 61604, and Plant Polymer Research Unit, **USDA, ARS, MWA, National Center for Agricultural Utilization Research, 1815 North University Street, Peoria, Illinois 61604

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jo0524730

Reference16 articles.

1. Self-consistent perturbation theory of diamagnetism

2. Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

3. Comparison of density functional theory models' ability to reproduce experimental13C-NMR shielding values

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